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Home > Other Heterocycles > 831213-72-0
831213-72-0 | 1,4-Dioxaspiro[4.5]decan-2-one, 3,9-dimethyl-6-(1-methylethyl)-
CAS No: 831213-72-0 Catalog No: AG004WBG MDL No:
Product Description
Catalog Number:
AG004WBG
Chemical Name:
1,4-Dioxaspiro[4.5]decan-2-one, 3,9-dimethyl-6-(1-methylethyl)-
CAS Number:
831213-72-0
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
InChI:
InChI=1S/C13H22O3/c1-8(2)11-6-5-9(3)7-13(11)15-10(4)12(14)16-13/h8-11H,5-7H2,1-4H3
InChI Key:
VUWCGGOBVYCOMA-UHFFFAOYSA-N
SMILES:
CC1CCC(C2(C1)OC(C(=O)O2)C)C(C)C
FEMA Number:
4285
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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